3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-2-22-17(12-14-7-4-3-5-8-14)20-21-19(22)25-13-15-9-6-10-16(11-15)18(23)24/h3-11H,2,12-13H2,1H3,(H,23,24)